SCHEMBL4386620

SCHEMBL4386620

Cc1nc2cc(NC(=O)c3cnc(-c4ccc(F)cc4)nc3C)ccc2s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.73
RAB9A P51151 7/20 0.50
NPC1 O15118 7/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
DGAT1 O75907 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4385762 0.90 TRPV1 (0.58) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL4388633 0.85 TRPV1 (1.00) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL29386356 0.85 TRPV1 (1.00) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL5934166 0.82 TRPV1 (0.70) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL4968206 0.77 TRPV1 (0.60) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL4384186 0.77 TRPV1 (0.81) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL4386968 0.77 RAB9A (0.62) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL4920329 0.77 TRPV1 (0.65) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL4386354 0.76 TRPV1 (0.76) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL4970699 0.75 TRPV1 (0.60) TRPV1RAB9ANPC1CASP3SENP7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606289-B1 CARBOXAMIDE DERIVATIVES GLAXO GROUP LTD (GB) 2009-12-02 EP claimed
EP-1606289-B1 CARBOXAMIDE DERIVATIVES GLAXO GROUP LTD (GB) 2009-12-02 EP disclosed